Density Functional Study on Small Al-Zn-Mg-Cu-Zr Cluster

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  The structures,electronic characters and the dissociation energies of small heteroatomic dimers,trimers,tetramers and pentamer of Al-Zn-Mg-Cu-Zr micro-clusters have been calculated by using the density functional B3LYP method.The calculated spectroscopic constants of single element dimers are in good agreement with the available experimental results.
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